SCHEMBL6537688

SCHEMBL6537688

NNc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.42
TYK2 P29597 5/20 0.42
JAK1 P23458 2/20 0.42
SLC16A3 O15427 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
CDK1 P06493 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
NCOR1 O75376 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDR P35968 1/20 0.38
PABPC1 P11940 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6538337 0.89 SLC16A3 (0.40) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6538208 0.88 PTGES (0.42) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6538034 0.86 TYK2 (0.45) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6537734 0.86 TYK2 (0.39) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6537770 0.85 TYK2 (0.43) JAK2TYK2JAK1KMT2AMEN1
SCHEMBL6537836 0.85 TYK2 (0.39) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6537622 0.82 TYK2 (0.42) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6538082 0.81 JAK2 (0.43) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL8490281 0.81 HAVCR2 (0.44) JAK2TYK2JAK1SLC16A3KMT2A
SCHEMBL6538374 0.80 ALDH1A1 (0.43) JAK2TYK2JAK1SLC16A3KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed